3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate

C16H32N4O2 — CID 58135977

IUPAC3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate
SMILESCN(C)CCCOC(=O)CN1CCC(N2CCN(C)CC2)C1
InChIInChI=1S/C16H32N4O2/c1-17(2)6-4-12-22-16(21)14-19-7-5-15(13-19)20-10-8-18(3)9-11-20/h15H,4-14H2,1-3H3
InChIKeyNSAMPAZJAOYSAD-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.20
Rot. Bonds7

About 3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate

3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate (PubChem CID 58135977) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Name3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate
PubChem CID58135977
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate
SMILESCN(C)CCCOC(=O)CN1CCC(N2CCN(C)CC2)C1
InChIInChI=1S/C16H32N4O2/c1-17(2)6-4-12-22-16(21)14-19-7-5-15(13-19)20-10-8-18(3)9-11-20/h15H,4-14H2,1-3H3
InChIKeyNSAMPAZJAOYSAD-UHFFFAOYSA-N
XLogP-0.20
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate
CID 58136141
3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58136099
butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
CID 55159559
butyl 2-[3-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetate
CID 58136062
2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58135973
butyl 2-(4-cyclopentylpiperazin-1-yl)acetate
CID 55024857
2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate
CID 58135927
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,N-dimethylpropan-1-amine
CID 115824853
2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate
CID 118535040
butyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;2-(dimethylamino)ethyl 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate;ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate;1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylic acid;2-morpholin-4-ylethyl 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate
CID 157456405
2-morpholin-4-ylethyl 2-[3-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetate
CID 58135857
3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
CID 58136159

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate?
The IUPAC name of 3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate (CID 58135977) is 3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for 3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate?
The canonical SMILES for 3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate is CN(C)CCCOC(=O)CN1CCC(N2CCN(C)CC2)C1.
What is the InChIKey of 3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate?
The InChIKey is NSAMPAZJAOYSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-17(2)6-4-12-22-16(21)14-19-7-5-15(13-19)20-10-8-18(3)9-11-20/h15H,4-14H2,1-3H3.
What are the key properties of 3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate?
3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate has a molecular weight of 312.46 g/mol, XLogP of -0.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 58135977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).